SCHEMBL5062834

SCHEMBL5062834

CCCC1CCN(Cc2ccnc3c2nc(-c2ccccc2)n3Cc2ccc(OC)cc2)C1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 7/20 0.41
PDE4B Q07343 1/20 0.41
ALDH1A1 P00352 2/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CNR2 P34972 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
FAAH O00519 1/20 0.39
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TSHR P16473 1/20 0.39
ACHE P22303 1/20 0.38
BACE1 P56817 1/20 0.38
CXCR4 P61073 1/20 0.38
DRD4 P21917 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5053350 0.89 PDE10A (0.44) FAAHCXCR4DRD4
SCHEMBL6949006 0.84 SMN1; SMN2 (0.40) TLR7PDE4BALDH1A1HTTSMN1; SMN2
SCHEMBL5056987 0.76 CNR2 (0.42) LMNACNR2MAPTHPGDTSHR
SCHEMBL6949121 0.76 HTT (0.53) TLR7PDE4BALDH1A1HTTSMN1; SMN2
SCHEMBL5056015 0.72 CNR2 (0.45) ALDH1A1CNR2L3MBTL1HPGDCXCR4
SCHEMBL1667873 0.72 PDE10A (0.41) ALDH1A1SMN1; SMN2LMNAL3MBTL1
SCHEMBL5055466 0.72 HPGD (0.42) CNR2HPGDACHEBACE1
SCHEMBL6950561 0.72 ALDH1A1 (0.48) TLR7PDE4BALDH1A1HTTSMN1; SMN2
SCHEMBL1670342 0.69 HTT (0.45) TLR7PDE4BALDH1A1HTTSMN1; SMN2
SCHEMBL1670343 0.69 HTT (0.45) TLR7PDE4BALDH1A1HTTSMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1912966-A2 2-OXO-1-PYRROLIDINE DERIVATIVES AND THEIR THERAPEUTIC USE ON THE CENTRAL NERVOUS SYSTEM UCB, S.A. (BE) 2008-04-23 EP disclosed
EP-1891042-A2 2-OXO-1-PYRROLIDINE DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR THERAPEUTIC USE ON THE CENTRAL NERVOUS SYSTEM UCB Pharma, S.A. (BE) 2008-02-27 EP disclosed
WO-2006128692-A2 2-OXO-1-PYRROLIDINE DERIVATIVES AND THEIR THERAPEUTIC USE ON THE CENTRAL NERVOUS SYSTEM UCB PHARMA, S.A. (BE) 2006-12-07 WO disclosed
WO-2006128693-A2 2 -OXO-I -PYRROLIDINE DERIVATIVES/ PROCESSES FOR PREPARING THEM AND THEIR THERAPEUTIC USE ON THE CENTRAL NERVOUS SYSTEM UCB PHARMA, S.A. (BE) 2006-12-07 WO disclosed